Geometry & MOs

Info

ID:	446952
PubChem CID:	135279067
Reduced:	BrFSN2O4H18C23 (1)
Stoich.:	ABCD2E4F18G23 (1)
Weight, g/mol:	526.140391
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	7.75
IP(EA), eV:	-8.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-amino-3-[4-(2,4-difluorophenoxy)-3-(6-methyl-1-methylphosphanylpyrrolo[2,3-b]pyridin-4-yl)anilino]sulfanylpent-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(C=CC(=C3)S(=O)(=O)C4CC4)OC5=C(C=C(C=C5)Br)F

DOS

IR

Vibrations